Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)Nc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(C)cc1- InChIKey
ABDCXEYJDDVTLD-SANMLTNESA-N- Molecular formula
- C32H26Cl2F3N3O6S
- Average molar mass
- 708.5 g/mol
- Monoisotopic mass
- 707.0871466
Names & identifiers
- Preferred name
- (S)-3-[4-(2,6-Dichlorobenzoylamino)phenyl]-2-{3-[2-(toluene-4-sulfonyl)-5-trifluoro methylphenyl]ureido}propionic acid methyl ester
- IUPAC
- methyl (2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]propanoate
Names & synonyms
(S)-3-[4-(2,6-Dichlorobenzoylamino)phenyl]-2-{3-[2-(toluene-4-sulfonyl)-5-trifluoro methylphenyl]ureido}propionic acid methyl esterSCHEMBL5260018(S)-3-[4-(2,6-Dichlorobenzoylamino)phenyl]-2-{3-[2-(toluene-4-sulfonyl)-5-trifluoromethylphenyl]ureido}propionic acid methyl ester
Database identifiers
- PubChem CID
- 69375653
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
Loading…